(2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid

C6H11NO3 — CID 139791793

IUPAC(2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid
SMILESN[C@@H](C1CC1)[C@H](O)C(=O)O
InChIInChI=1S/C6H11NO3/c7-4(3-1-2-3)5(8)6(9)10/h3-5,8H,1-2,7H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyMKBVFQMQYPXWTJ-WHFBIAKZSA-N
MW145.16 g/mol
LogP-0.83
Rot. Bonds3

About (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid

(2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid (PubChem CID 139791793) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid
PubChem CID139791793
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid
SMILESN[C@@H](C1CC1)[C@H](O)C(=O)O
InChIInChI=1S/C6H11NO3/c7-4(3-1-2-3)5(8)6(9)10/h3-5,8H,1-2,7H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyMKBVFQMQYPXWTJ-WHFBIAKZSA-N
XLogP-0.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid?
The IUPAC name of (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid (CID 139791793) is (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid.
What is the SMILES notation for (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid?
The canonical SMILES for (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid is N[C@@H](C1CC1)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid?
The InChIKey is MKBVFQMQYPXWTJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO3/c7-4(3-1-2-3)5(8)6(9)10/h3-5,8H,1-2,7H2,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid?
(2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid is sourced from PubChem (CID 139791793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).