(2R)-2-(piperazine-1-carbonylamino)propanoic acid

C8H15N3O3 — CID 78972178

IUPAC(2R)-2-(piperazine-1-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C8H15N3O3/c1-6(7(12)13)10-8(14)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyWMMYXDGGLJBKDQ-ZCFIWIBFSA-N
MW201.23 g/mol
LogP-0.93
Rot. Bonds2

About (2R)-2-(piperazine-1-carbonylamino)propanoic acid

(2R)-2-(piperazine-1-carbonylamino)propanoic acid (PubChem CID 78972178) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2R)-2-(piperazine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(piperazine-1-carbonylamino)propanoic acid
PubChem CID78972178
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2R)-2-(piperazine-1-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C8H15N3O3/c1-6(7(12)13)10-8(14)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyWMMYXDGGLJBKDQ-ZCFIWIBFSA-N
XLogP-0.93
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
(2S)-2-(2,5-dihydropyrrole-1-carbonylamino)propanoic acid
CID 130680339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(piperazine-1-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(piperazine-1-carbonylamino)propanoic acid (CID 78972178) is (2R)-2-(piperazine-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(piperazine-1-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(piperazine-1-carbonylamino)propanoic acid is C[C@@H](NC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of (2R)-2-(piperazine-1-carbonylamino)propanoic acid?
The InChIKey is WMMYXDGGLJBKDQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-6(7(12)13)10-8(14)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3,(H,10,14)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(piperazine-1-carbonylamino)propanoic acid?
(2R)-2-(piperazine-1-carbonylamino)propanoic acid has a molecular weight of 201.23 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(piperazine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 78972178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).