(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid

C15H30N2O4 — CID 122661967

IUPAC(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCN(O)C(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-8-9-12-17(21)14(18)11-10-13(16)15(19)20/h13,21H,2-12,16H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyVVPOLIDUDOXHDB-ZDUSSCGKSA-N
MW302.41 g/mol
LogP2.54
Rot. Bonds13

About (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid

(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid (PubChem CID 122661967) has the molecular formula C15H30N2O4 and a molecular weight of 302.41 g/mol. Its IUPAC name is (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid
PubChem CID122661967
Molecular FormulaC15H30N2O4
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCN(O)C(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-8-9-12-17(21)14(18)11-10-13(16)15(19)20/h13,21H,2-12,16H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyVVPOLIDUDOXHDB-ZDUSSCGKSA-N
XLogP2.54
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid
CID 87566861
2-aminotetracosanoic acid
CID 88730229
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
(2S)-2-amino-5,6-dioxohenicosanoic acid
CID 175716669
2-aminopentanedioic acid;dodecanoic acid
CID 175003829
4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
CID 174789202
2-aminohexadecanoic acid;azane
CID 175267671
(2S)-2-amino-6-[di(dodecanoyl)amino]hexanoic acid;octadecan-1-amine
CID 87345820
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
(2S)-2,5-diamino-6-oxohenicosanoic acid
CID 22792812

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid (CID 122661967) is (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid is CCCCCCCCCCN(O)C(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid?
The InChIKey is VVPOLIDUDOXHDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-8-9-12-17(21)14(18)11-10-13(16)15(19)20/h13,21H,2-12,16H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid has a molecular weight of 302.41 g/mol, XLogP of 2.54, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid is sourced from PubChem (CID 122661967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).