(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid

C14H26N2O5 — CID 22894161

IUPAC(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-5-6-7-10(8-16(21)9-17)12(18)15-11(13(19)20)14(2,3)4/h9-11,21H,5-8H2,1-4H3,(H,15,18)(H,19,20)/t10-,11-/m1/s1
InChIKeyZJSSZBCYVVPTPI-GHMZBOCLSA-N
MW302.37 g/mol
LogP1.26
Rot. Bonds9

About (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid

(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 22894161) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID22894161
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-5-6-7-10(8-16(21)9-17)12(18)15-11(13(19)20)14(2,3)4/h9-11,21H,5-8H2,1-4H3,(H,15,18)(H,19,20)/t10-,11-/m1/s1
InChIKeyZJSSZBCYVVPTPI-GHMZBOCLSA-N
XLogP1.26
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid (CID 22894161) is (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid is CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is ZJSSZBCYVVPTPI-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-5-6-7-10(8-16(21)9-17)12(18)15-11(13(19)20)14(2,3)4/h9-11,21H,5-8H2,1-4H3,(H,15,18)(H,19,20)/t10-,11-/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid?
(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 302.37 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 22894161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).