2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid

C10H14N2O4 — CID 62695032

IUPAC2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
SMILESCN1C(=O)CC(NC(C(=O)O)C2CC2)C1=O
InChIInChI=1S/C10H14N2O4/c1-12-7(13)4-6(9(12)14)11-8(10(15)16)5-2-3-5/h5-6,8,11H,2-4H2,1H3,(H,15,16)
InChIKeyXMLOMFCEYRMPLC-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.80
Rot. Bonds4

About 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid

2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid (PubChem CID 62695032) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
PubChem CID62695032
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
SMILESCN1C(=O)CC(NC(C(=O)O)C2CC2)C1=O
InChIInChI=1S/C10H14N2O4/c1-12-7(13)4-6(9(12)14)11-8(10(15)16)5-2-3-5/h5-6,8,11H,2-4H2,1H3,(H,15,16)
InChIKeyXMLOMFCEYRMPLC-UHFFFAOYSA-N
XLogP-0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Asparaginylleucine
CID 18218182
Asparaginyl-Isoleucine
CID 56991460
2-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-methyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-3-carboxy-propionylamino)-4-methyl-pentanoic acid
CID 512990
(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 7408512
2-(2-{2-[2-(2-Ethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-propionylamino)-4-methyl-pentanoic acid
CID 515367
2-(3-Carbamoyl-2-{2-[2-(2-ethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-propionylamino)-4-methyl-pentanoic acid
CID 515368
H-Leu-Asn-Pro-OH
CID 14889717
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 9900499
Asn-Leu
CID 44232490
Gly-Asn-Leu
CID 129639194
Neuromedin B (1-3)
CID 53481577
(N-acetylprolyl)leucine
CID 54010801

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid (CID 62695032) is 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid is CN1C(=O)CC(NC(C(=O)O)C2CC2)C1=O.
What is the InChIKey of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The InChIKey is XMLOMFCEYRMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12-7(13)4-6(9(12)14)11-8(10(15)16)5-2-3-5/h5-6,8,11H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 62695032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).