(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid

C9H16N2O3 — CID 68538860

IUPAC(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](CNC2CC2)[C@@H](O)C1
InChIInChI=1S/C9H16N2O3/c12-8-5-11(9(13)14)4-6(8)3-10-7-1-2-7/h6-8,10,12H,1-5H2,(H,13,14)/t6-,8-/m0/s1
InChIKeyAZBCNWVHJJDVLD-XPUUQOCRSA-N
MW200.24 g/mol
LogP-0.29
Rot. Bonds3

About (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid

(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 68538860) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID68538860
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](CNC2CC2)[C@@H](O)C1
InChIInChI=1S/C9H16N2O3/c12-8-5-11(9(13)14)4-6(8)3-10-7-1-2-7/h6-8,10,12H,1-5H2,(H,13,14)/t6-,8-/m0/s1
InChIKeyAZBCNWVHJJDVLD-XPUUQOCRSA-N
XLogP-0.29
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid (CID 68538860) is (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid is O=C(O)N1C[C@H](CNC2CC2)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is AZBCNWVHJJDVLD-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8-5-11(9(13)14)4-6(8)3-10-7-1-2-7/h6-8,10,12H,1-5H2,(H,13,14)/t6-,8-/m0/s1.
What are the key properties of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid?
(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68538860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).