2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid

C14H26N2O3 — CID 61370335

IUPAC2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
SMILESCCCC(C)NC(=O)C(C)N1CCCC1CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-6-10(2)15-14(19)11(3)16-8-5-7-12(16)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyMRCHQDDMQJUJEK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds7

About 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid

2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370335) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
PubChem CID61370335
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
SMILESCCCC(C)NC(=O)C(C)N1CCCC1CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-6-10(2)15-14(19)11(3)16-8-5-7-12(16)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyMRCHQDDMQJUJEK-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid 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

2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
CID 61010725
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 55243368
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
CID 54899679
2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 113321919
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid (CID 61370335) is 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid is CCCC(C)NC(=O)C(C)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid?
The InChIKey is MRCHQDDMQJUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-10(2)15-14(19)11(3)16-8-5-7-12(16)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid?
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).