2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid

C13H23N3O4 — CID 106005063

IUPAC2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCCCC1CCCC1
InChIInChI=1S/C13H23N3O4/c17-11(15-9-12(18)19)8-16-13(20)14-7-3-6-10-4-1-2-5-10/h10H,1-9H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyLMHAVVSJTHMUOS-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.46
Rot. Bonds8

About 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 106005063) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID106005063
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCCCC1CCCC1
InChIInChI=1S/C13H23N3O4/c17-11(15-9-12(18)19)8-16-13(20)14-7-3-6-10-4-1-2-5-10/h10H,1-9H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyLMHAVVSJTHMUOS-UHFFFAOYSA-N
XLogP0.46
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
3-cyclohexylpropylcarbamic acid
CID 54479876
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
3-(3-cyclopentylpropylcarbamoylamino)-2-methylpropanoic acid
CID 114136378
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
CID 106005327
2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
CID 114162453
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid (CID 106005063) is 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCCCC1CCCC1.
What is the InChIKey of 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is LMHAVVSJTHMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-11(15-9-12(18)19)8-16-13(20)14-7-3-6-10-4-1-2-5-10/h10H,1-9H2,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.46, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 106005063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).