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

C9H15N3O5 — CID 107839956

IUPAC(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1C(=O)NCCN1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H15N3O5/c1-5-7(14)10-2-3-12(5)9(17)11-4-6(13)8(15)16/h5-6,13H,2-4H2,1H3,(H,10,14)(H,11,17)(H,15,16)/t5?,6-/m0/s1
InChIKeyZKZLTRCUOVZRJI-GDVGLLTNSA-N
MW245.23 g/mol
LogP-2.04
Rot. Bonds3

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

(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 107839956) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
PubChem CID107839956
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1C(=O)NCCN1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H15N3O5/c1-5-7(14)10-2-3-12(5)9(17)11-4-6(13)8(15)16/h5-6,13H,2-4H2,1H3,(H,10,14)(H,11,17)(H,15,16)/t5?,6-/m0/s1
InChIKeyZKZLTRCUOVZRJI-GDVGLLTNSA-N
XLogP-2.04
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 81069306
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 115613470
(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830881
2-methyl-N-(2-methylpropyl)-3-oxopiperazine-1-carbothioamide
CID 116508580
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 63607471
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid (CID 107839956) is (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid is CC1C(=O)NCCN1C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is ZKZLTRCUOVZRJI-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-5-7(14)10-2-3-12(5)9(17)11-4-6(13)8(15)16/h5-6,13H,2-4H2,1H3,(H,10,14)(H,11,17)(H,15,16)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 245.23 g/mol, XLogP of -2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107839956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).