(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid

C13H18N2O4 — CID 7010490

IUPAC(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESNCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyZYGRWJVRLNJIMR-NSHDSACASA-N
MW266.30 g/mol
LogP1.10
Rot. Bonds7

About (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid

(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 7010490) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID7010490
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESNCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyZYGRWJVRLNJIMR-NSHDSACASA-N
XLogP1.10
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 7010490) is (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid is NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is ZYGRWJVRLNJIMR-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid?
(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 7010490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).