2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid

C14H23N3O4 — CID 103994420

IUPAC2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCC(=O)N1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H23N3O4/c1-14(12(19)20,10-4-5-10)16-13(21)15-7-6-11(18)17-8-2-3-9-17/h10H,2-9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyWZMKSYWDLLVAKC-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds6

About 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid (PubChem CID 103994420) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
PubChem CID103994420
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCC(=O)N1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H23N3O4/c1-14(12(19)20,10-4-5-10)16-13(21)15-7-6-11(18)17-8-2-3-9-17/h10H,2-9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyWZMKSYWDLLVAKC-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 115692831
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 61183248
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-cyclopropyl-2-(1,4-thiazepane-4-carbonylamino)propanoic acid
CID 61423037
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046
(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
CID 43170437

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid (CID 103994420) is 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid is CC(NC(=O)NCCC(=O)N1CCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The InChIKey is WZMKSYWDLLVAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(12(19)20,10-4-5-10)16-13(21)15-7-6-11(18)17-8-2-3-9-17/h10H,2-9H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid has a molecular weight of 297.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 103994420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).