sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride

C13H17N2NaO5 — CID 173433388

IUPACsodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
SMILESNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C13H16N2O5.Na.H/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9;;/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18);;/q;+1;-1/t10-;;/m0../s1
InChIKeyGAOMTXWGADEYBK-XRIOVQLTSA-N
MW304.28 g/mol
LogP-2.25
Rot. Bonds7

About sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride

sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride (PubChem CID 173433388) has the molecular formula C13H17N2NaO5 and a molecular weight of 304.28 g/mol. Its IUPAC name is sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride.

Molecular Properties

Compound Namesodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
PubChem CID173433388
Molecular FormulaC13H17N2NaO5
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Namesodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
SMILESNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C13H16N2O5.Na.H/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9;;/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18);;/q;+1;-1/t10-;;/m0../s1
InChIKeyGAOMTXWGADEYBK-XRIOVQLTSA-N
XLogP-2.25
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18788291
phenacyl (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 7658599
(2S)-4-aminooxy-2-(phenylmethoxycarbonylamino)butanoic acid
CID 165477509
5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292
(2S)-7-methoxy-5,7-dioxo-2-(phenylmethoxycarbonylamino)heptanoic acid
CID 67830750
2-[[(2S)-5-amino-2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 67799851
2-(phenylmethoxycarbonylaminocarbamoylamino)pentanedioic acid
CID 78046840
(2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-prop-2-enoxypentanoic acid
CID 102479995
(2S)-4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 143421754
5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18466026
4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 66926655

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride?
The IUPAC name of sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride (CID 173433388) is sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride.
What is the SMILES notation for sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride?
The canonical SMILES for sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride is NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride?
The InChIKey is GAOMTXWGADEYBK-XRIOVQLTSA-N. The full InChI is InChI=1S/C13H16N2O5.Na.H/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9;;/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18);;/q;+1;-1/t10-;;/m0../s1.
What are the key properties of sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride?
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride has a molecular weight of 304.28 g/mol, XLogP of -2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride is sourced from PubChem (CID 173433388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).