4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid

C10H19N3O3 — CID 141387551

IUPAC4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-7(2)8(11)9(14)12-3-5-13(6-4-12)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyAHQPDJIAGLGRKM-QMMMGPOBSA-N
MW229.28 g/mol
LogP-0.21
Rot. Bonds2

About 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid

4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid (PubChem CID 141387551) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
PubChem CID141387551
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-7(2)8(11)9(14)12-3-5-13(6-4-12)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyAHQPDJIAGLGRKM-QMMMGPOBSA-N
XLogP-0.21
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2S)-2-amino-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 28745495
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 54872163
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid (CID 141387551) is 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid is CC(C)[C@H](N)C(=O)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid?
The InChIKey is AHQPDJIAGLGRKM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(2)8(11)9(14)12-3-5-13(6-4-12)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid?
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 141387551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).