(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid

C7H14N2O2 — CID 102103507

IUPAC(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
SMILESNC[C@@H]1C[C@H]1C[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O2/c8-3-5-1-4(5)2-6(9)7(10)11/h4-6H,1-3,8-9H2,(H,10,11)/t4-,5-,6-/m0/s1
InChIKeyVOVGMOOZUBIXAB-ZLUOBGJFSA-N
MW158.20 g/mol
LogP-0.62
Rot. Bonds4

About (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid

(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid (PubChem CID 102103507) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
PubChem CID102103507
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
SMILESNC[C@@H]1C[C@H]1C[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O2/c8-3-5-1-4(5)2-6(9)7(10)11/h4-6H,1-3,8-9H2,(H,10,11)/t4-,5-,6-/m0/s1
InChIKeyVOVGMOOZUBIXAB-ZLUOBGJFSA-N
XLogP-0.62
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-cyclopropylpropanoic acid
CID 519178
2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid
CID 11160410
2-amino-3-(2-bicyclo[2.2.2]oct-5-enyl)propanoic acid
CID 170636666
2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046
2,3-diaminopropanoic acid
CID 160927094
2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
2-amino-3-[2-[1-(2-hydroxyethylsulfanyl)cyclopropyl]cyclopropyl]propanoic acid
CID 10586468
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-2-amino-3-[(2R,3R)-3-methylthiiran-2-yl]propanoic acid
CID 57340121
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid (CID 102103507) is (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid is NC[C@@H]1C[C@H]1C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid?
The InChIKey is VOVGMOOZUBIXAB-ZLUOBGJFSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-3-5-1-4(5)2-6(9)7(10)11/h4-6H,1-3,8-9H2,(H,10,11)/t4-,5-,6-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid?
(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 102103507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).