(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid

C13H24N4O4 — CID 61205667

IUPAC(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCCN1CCC(CNC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C13H24N4O4/c1-2-17-6-5-9(8-17)7-15-13(21)16-10(12(19)20)3-4-11(14)18/h9-10H,2-8H2,1H3,(H2,14,18)(H,19,20)(H2,15,16,21)/t9?,10-/m0/s1
InChIKeyFOIMUHMHDIBREX-AXDSSHIGSA-N
MW300.36 g/mol
LogP-0.65
Rot. Bonds8

About (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 61205667) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID61205667
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCCN1CCC(CNC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C13H24N4O4/c1-2-17-6-5-9(8-17)7-15-13(21)16-10(12(19)20)3-4-11(14)18/h9-10H,2-8H2,1H3,(H2,14,18)(H,19,20)(H2,15,16,21)/t9?,10-/m0/s1
InChIKeyFOIMUHMHDIBREX-AXDSSHIGSA-N
XLogP-0.65
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]pentanedioic acid
CID 61205665
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
(2S)-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 61205851
(2S)-4-amino-2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717924
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964488
5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
CID 113363508
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
(2S)-2-(thian-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567647
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539
(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid (CID 61205667) is (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid is CCN1CCC(CNC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1.
What is the InChIKey of (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is FOIMUHMHDIBREX-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-2-17-6-5-9(8-17)7-15-13(21)16-10(12(19)20)3-4-11(14)18/h9-10H,2-8H2,1H3,(H2,14,18)(H,19,20)(H2,15,16,21)/t9?,10-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61205667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).