(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid

C15H28N2O4 — CID 126740893

IUPAC(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid
SMILESCCCCCCCCCC(=O)NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-2-3-4-5-6-7-8-9-13(18)17-14(19)11-10-12(16)15(20)21/h12H,2-11,16H2,1H3,(H,20,21)(H,17,18,19)/t12-/m0/s1
InChIKeyFYYMZDFZZXPVQN-LBPRGKRZSA-N
MW300.40 g/mol
LogP1.96
Rot. Bonds12

About (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid

(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid (PubChem CID 126740893) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid
PubChem CID126740893
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid
SMILESCCCCCCCCCC(=O)NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-2-3-4-5-6-7-8-9-13(18)17-14(19)11-10-12(16)15(20)21/h12H,2-11,16H2,1H3,(H,20,21)(H,17,18,19)/t12-/m0/s1
InChIKeyFYYMZDFZZXPVQN-LBPRGKRZSA-N
XLogP1.96
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5,6-dioxohenicosanoic acid
CID 175716669
2-aminopentanedioic acid;dodecanoic acid
CID 175003829
N-decanoyldecanamide
CID 87914075
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
N-octanoyloctanamide;hydrobromide
CID 175059894
(2S)-2,5-diamino-6-oxohenicosanoic acid
CID 22792812
(2S)-2-(decanoylamino)propanoic acid;2,6-diaminohexanoic acid
CID 87876051
(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
CID 175416934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid (CID 126740893) is (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid is CCCCCCCCCC(=O)NC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid?
The InChIKey is FYYMZDFZZXPVQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-3-4-5-6-7-8-9-13(18)17-14(19)11-10-12(16)15(20)21/h12H,2-11,16H2,1H3,(H,20,21)(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid?
(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.96, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 126740893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).