(2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid

C11H21N3O5 — CID 22804605

IUPAC(2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid
SMILESCC(CC(=O)NO)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(6-9(15)14-19)10(16)13-8(11(17)18)4-2-3-5-12/h7-8,19H,2-6,12H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyBXVNPAPUNVGWKM-MQWKRIRWSA-N
MW275.31 g/mol
LogP-0.78
Rot. Bonds9

About (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid (PubChem CID 22804605) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid
PubChem CID22804605
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid
SMILESCC(CC(=O)NO)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(6-9(15)14-19)10(16)13-8(11(17)18)4-2-3-5-12/h7-8,19H,2-6,12H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyBXVNPAPUNVGWKM-MQWKRIRWSA-N
XLogP-0.78
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(2S)-6-amino-2-[[(2S)-4-[[(3S)-4-[[(1S)-5-amino-1-carboxypentyl]amino]-3-methyl-4-oxobutyl]disulfanyl]-2-methylbutanoyl]amino]hexanoic acid
CID 59111182
2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 107825086
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]butanedioic acid
CID 18218444
6-amino-2-[[4-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
CID 18233426
6-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]hexanoic acid
CID 18218297
6-amino-2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 18237051
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid (CID 22804605) is (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid is CC(CC(=O)NO)C(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid?
The InChIKey is BXVNPAPUNVGWKM-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-7(6-9(15)14-19)10(16)13-8(11(17)18)4-2-3-5-12/h7-8,19H,2-6,12H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid?
(2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.78, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]hexanoic acid is sourced from PubChem (CID 22804605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).