(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide

C16H28N4O4 — CID 166722285

IUPAC(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide
SMILESCON(C)C(=O)[C@H](CC1CCNC1=O)NC(=O)C(N)C1CCCC1
InChIInChI=1S/C16H28N4O4/c1-20(24-2)16(23)12(9-11-7-8-18-14(11)21)19-15(22)13(17)10-5-3-4-6-10/h10-13H,3-9,17H2,1-2H3,(H,18,21)(H,19,22)/t11?,12-,13?/m0/s1
InChIKeyXJPVVHQTQKRMQO-CPCZMJQVSA-N
MW340.42 g/mol
LogP-0.47
Rot. Bonds7

About (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide

(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide (PubChem CID 166722285) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide
PubChem CID166722285
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide
SMILESCON(C)C(=O)[C@H](CC1CCNC1=O)NC(=O)C(N)C1CCCC1
InChIInChI=1S/C16H28N4O4/c1-20(24-2)16(23)12(9-11-7-8-18-14(11)21)19-15(22)13(17)10-5-3-4-6-10/h10-13H,3-9,17H2,1-2H3,(H,18,21)(H,19,22)/t11?,12-,13?/m0/s1
InChIKeyXJPVVHQTQKRMQO-CPCZMJQVSA-N
XLogP-0.47
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
methyl 2-[[(2S)-2-aminopent-4-ynoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166744807
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
CID 166840656
methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158532363
methyl 2-[[3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458211
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-hydroxypropanoate
CID 126679555
2-[[(2S)-2-amino-4-fluoro-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 175871162
methyl (2S)-2-[[(2S)-2-[[2-[hydroxy(methyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166840505
methyl 2-(2,2-dimethylpropanoylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175531737
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide (CID 166722285) is (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide is CON(C)C(=O)[C@H](CC1CCNC1=O)NC(=O)C(N)C1CCCC1.
What is the InChIKey of (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is XJPVVHQTQKRMQO-CPCZMJQVSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-20(24-2)16(23)12(9-11-7-8-18-14(11)21)19-15(22)13(17)10-5-3-4-6-10/h10-13H,3-9,17H2,1-2H3,(H,18,21)(H,19,22)/t11?,12-,13?/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide?
(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 340.42 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 166722285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).