(2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide

C12H25N3O3 — CID 118225714

IUPAC(2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide
SMILESCCCCC[C@@H](C(=O)NCN)[C@@H](CC)N(O)C=O
InChIInChI=1S/C12H25N3O3/c1-3-5-6-7-10(12(17)14-8-13)11(4-2)15(18)9-16/h9-11,18H,3-8,13H2,1-2H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyHQVOSUGRNZOVIH-GHMZBOCLSA-N
MW259.35 g/mol
LogP0.84
Rot. Bonds10

About (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide

(2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide (PubChem CID 118225714) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide.

Molecular Properties

Compound Name(2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide
PubChem CID118225714
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name(2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide
SMILESCCCCC[C@@H](C(=O)NCN)[C@@H](CC)N(O)C=O
InChIInChI=1S/C12H25N3O3/c1-3-5-6-7-10(12(17)14-8-13)11(4-2)15(18)9-16/h9-11,18H,3-8,13H2,1-2H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyHQVOSUGRNZOVIH-GHMZBOCLSA-N
XLogP0.84
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[[2-[1-[formyl(hydroxy)amino]propyl]heptanoylamino]methylcarbamoyl]-2-pyridinyl]phthalic acid
CID 145227837
[[4-[5-[[2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoylamino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methylphosphonic acid
CID 118225932
N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzamide
CID 145227715
(2S)-2-[[4-[6-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]-2-pyridinyl]benzoyl]amino]butanedioic acid;hydrochloride
CID 155556559
[[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium
CID 122699080
ethyl 5-ethoxy-3-[5-[[2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoylamino]methylcarbamoyl]furan-2-yl]-2-hydroxybenzoate
CID 122699098
2-[[4-[6-[[2-[1-[formyl(hydroxy)amino]propyl]heptanoylamino]methylcarbamoyl]-2-pyridinyl]benzoyl]amino]pentanedioic acid
CID 145227708
2-[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]phenyl]acetic acid
CID 118225987
2-[[4-[5-[[2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoylamino]methylcarbamoyl]furan-2-yl]benzoyl]amino]pentanedioic acid
CID 118226290
5-(3-dimethoxyphosphoryl-5-ethoxyphenyl)-N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]octanoyl]amino]methyl]furan-2-carboxamide
CID 146199638
2-(3-ethoxy-4-methylphenyl)-N-[[2-[1-[formyl(hydroxy)amino]propyl]heptanoylamino]methyl]pyrimidine-4-carboxamide;formaldehyde;methanol
CID 145227897
[3-ethoxy-5-[5-[[2-[1-[formyl(hydroxy)amino]propyl]heptanoylamino]methylcarbamoyl]oxolan-2-yl]phenyl]phosphonic acid
CID 146176553

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide?
The IUPAC name of (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide (CID 118225714) is (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide.
What is the SMILES notation for (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide?
The canonical SMILES for (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide is CCCCC[C@@H](C(=O)NCN)[C@@H](CC)N(O)C=O.
What is the InChIKey of (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide?
The InChIKey is HQVOSUGRNZOVIH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-3-5-6-7-10(12(17)14-8-13)11(4-2)15(18)9-16/h9-11,18H,3-8,13H2,1-2H3,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide?
(2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide has a molecular weight of 259.35 g/mol, XLogP of 0.84, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(aminomethyl)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanamide is sourced from PubChem (CID 118225714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).