(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid

C12H19N3O4 — CID 112734917

IUPAC(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)N[C@@H](CC2CC2)C(=O)O)CC1=O
InChIInChI=1S/C12H19N3O4/c1-14-4-5-15(7-10(14)16)12(19)13-9(11(17)18)6-8-2-3-8/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)/t9-/m0/s1
InChIKeySVRQUJVGXFCKOG-VIFPVBQESA-N
MW269.30 g/mol
LogP-0.28
Rot. Bonds4

About (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid

(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 112734917) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
PubChem CID112734917
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)N[C@@H](CC2CC2)C(=O)O)CC1=O
InChIInChI=1S/C12H19N3O4/c1-14-4-5-15(7-10(14)16)12(19)13-9(11(17)18)6-8-2-3-8/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)/t9-/m0/s1
InChIKeySVRQUJVGXFCKOG-VIFPVBQESA-N
XLogP-0.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 64694323
(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid
CID 64695756
2-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 64693278
(2S)-4-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-oxobutanoic acid
CID 102891177
(2R)-5-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831186
3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 112735129
2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102891217
(2R)-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102891058
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 112735135
2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 114007573
(2S,3R)-3-hydroxy-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 102891279

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid (CID 112734917) is (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid is CN1CCN(C(=O)N[C@@H](CC2CC2)C(=O)O)CC1=O.
What is the InChIKey of (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is SVRQUJVGXFCKOG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O4/c1-14-4-5-15(7-10(14)16)12(19)13-9(11(17)18)6-8-2-3-8/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 112734917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).