CID 101063678

C6H10N3O2 — CID 101063678

IUPAC—
SMILESN[C@@H](CC1[CH]N=CN1)C(=O)O
InChIInChI=1S/C6H10N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-5H,1,7H2,(H,8,9)(H,10,11)/t4?,5-/m0/s1
InChIKeyVPLVPMMRFDUVKT-AKGZTFGVSA-N
MW156.16 g/mol
LogP-1.05
Rot. Bonds3

About CID 101063678

CID 101063678 (PubChem CID 101063678) has the molecular formula C6H10N3O2 and a molecular weight of 156.16 g/mol.

Molecular Properties

Compound NameCID 101063678
PubChem CID101063678
Molecular FormulaC6H10N3O2
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name—
SMILESN[C@@H](CC1[CH]N=CN1)C(=O)O
InChIInChI=1S/C6H10N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-5H,1,7H2,(H,8,9)(H,10,11)/t4?,5-/m0/s1
InChIKeyVPLVPMMRFDUVKT-AKGZTFGVSA-N
XLogP-1.05
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
CID 10943157
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
CID 102103507
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 72707335

Frequently Asked Questions

What is the IUPAC name of CID 101063678?
The IUPAC name of CID 101063678 (CID 101063678) is not available.
What is the SMILES notation for CID 101063678?
The canonical SMILES for CID 101063678 is N[C@@H](CC1[CH]N=CN1)C(=O)O.
What is the InChIKey of CID 101063678?
The InChIKey is VPLVPMMRFDUVKT-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H10N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-5H,1,7H2,(H,8,9)(H,10,11)/t4?,5-/m0/s1.
What are the key properties of CID 101063678?
CID 101063678 has a molecular weight of 156.16 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101063678 is sourced from PubChem (CID 101063678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).