(2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid

C14H19N3O7 — CID 174960116

IUPAC(2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](C(=O)O)N(O)NC(OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19N3O7/c15-11(18)7-6-10(13(19)20)17(23)16-12(14(21)22)24-8-9-4-2-1-3-5-9/h1-5,10,12,16,23H,6-8H2,(H2,15,18)(H,19,20)(H,21,22)/t10-,12?/m0/s1
InChIKeyFCUVDTWBWHSZGU-NUHJPDEHSA-N
MW341.32 g/mol
LogP-0.47
Rot. Bonds11

About (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid

(2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid (PubChem CID 174960116) has the molecular formula C14H19N3O7 and a molecular weight of 341.32 g/mol. Its IUPAC name is (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid
PubChem CID174960116
Molecular FormulaC14H19N3O7
Molecular Weight341.32 g/mol
Exact Mass341.12
IUPAC Name(2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](C(=O)O)N(O)NC(OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19N3O7/c15-11(18)7-6-10(13(19)20)17(23)16-12(14(21)22)24-8-9-4-2-1-3-5-9/h1-5,10,12,16,23H,6-8H2,(H2,15,18)(H,19,20)(H,21,22)/t10-,12?/m0/s1
InChIKeyFCUVDTWBWHSZGU-NUHJPDEHSA-N
XLogP-0.47
TPSA162.42 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
CID 67573864
2-[[[(1S)-4-amino-1-carboxy-4-oxobutyl]-phenylmethoxycarbonylamino]methyl]benzoic acid
CID 70041413
2-[benzyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 14887414
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
(2S)-2-(N-acetylanilino)-5-amino-5-oxopentanoic acid
CID 25232805
benzyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 14420417
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid
CID 13391120
(2S)-5-amino-5-oxo-2-[N-(sulfomethyl)anilino]pentanoic acid
CID 150317196
carbonic acid;3-phenylpropanamide
CID 174965682
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid (CID 174960116) is (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid is NC(=O)CC[C@@H](C(=O)O)N(O)NC(OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid?
The InChIKey is FCUVDTWBWHSZGU-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H19N3O7/c15-11(18)7-6-10(13(19)20)17(23)16-12(14(21)22)24-8-9-4-2-1-3-5-9/h1-5,10,12,16,23H,6-8H2,(H2,15,18)(H,19,20)(H,21,22)/t10-,12?/m0/s1.
What are the key properties of (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid has a molecular weight of 341.32 g/mol, XLogP of -0.47, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[[carboxy(phenylmethoxy)methyl]amino]-hydroxyamino]-5-oxopentanoic acid is sourced from PubChem (CID 174960116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).