(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid

C12H21N3O4 — CID 107824578

IUPAC(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)N[C@H](CC(N)=O)C(=O)O)CCNC1
InChIInChI=1S/C12H21N3O4/c1-2-3-12(4-5-14-7-12)11(19)15-8(10(17)18)6-9(13)16/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,19)(H,17,18)/t8-,12?/m1/s1
InChIKeyCYCBFIMOCCUQFU-SZSXPDSJSA-N
MW271.32 g/mol
LogP-0.79
Rot. Bonds7

About (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid

(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 107824578) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID107824578
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)N[C@H](CC(N)=O)C(=O)O)CCNC1
InChIInChI=1S/C12H21N3O4/c1-2-3-12(4-5-14-7-12)11(19)15-8(10(17)18)6-9(13)16/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,19)(H,17,18)/t8-,12?/m1/s1
InChIKeyCYCBFIMOCCUQFU-SZSXPDSJSA-N
XLogP-0.79
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
CID 106230204
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 103870336
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 65120275
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 107824578) is (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid is CCCC1(C(=O)N[C@H](CC(N)=O)C(=O)O)CCNC1.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is CYCBFIMOCCUQFU-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-3-12(4-5-14-7-12)11(19)15-8(10(17)18)6-9(13)16/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,19)(H,17,18)/t8-,12?/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 271.32 g/mol, XLogP of -0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107824578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).