(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid

C8H14N2O3 — CID 6347578

IUPAC(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKeyFELJDCNGZFDUNR-WDSKDSINSA-N
MW186.21 g/mol
LogP-0.67
Rot. Bonds3

About (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid

(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 6347578) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID6347578
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKeyFELJDCNGZFDUNR-WDSKDSINSA-N
XLogP-0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid (CID 6347578) is (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is FELJDCNGZFDUNR-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 6347578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).