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

C14H25NO5 — CID 175416934

IUPAC(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
SMILESCCCCCCCCC(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C14H25NO5/c1-2-3-4-5-6-7-8-12(16)20-13(17)10-9-11(15)14(18)19/h11H,2-10,15H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyQHQLSYNEDBGJNX-NSHDSACASA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds11

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

(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid (PubChem CID 175416934) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
PubChem CID175416934
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
SMILESCCCCCCCCC(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C14H25NO5/c1-2-3-4-5-6-7-8-12(16)20-13(17)10-9-11(15)14(18)19/h11H,2-10,15H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyQHQLSYNEDBGJNX-NSHDSACASA-N
XLogP2.00
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;(2S)-2-amino-5-dodecanoyloxy-5-oxopentanoic acid;hydride;hydrochloride
CID 175545509
dioctadecanoyl (2S)-2-aminopentanedioate
CID 57221683
1-O-methyl 5-O-tetradecanoyl 2-aminopentanedioate
CID 135151678
tetrasodium;ditetradecanoyl (2S)-2-aminopentanedioate;hydride
CID 175312951
4-amino-5-dodecanoyloxy-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 126494554
4-amino-5-oxo-5-tetracosanoyloxypentanoic acid
CID 170430901
(4S)-4-amino-5-octanoyloxy-5-oxopentanoic acid
CID 87093144
5-O-hexanoyl 1-O-methyl (2S)-2-aminopentanedioate
CID 135151670
1-O-(2-aminoacetyl) 5-O-dodecanoyl (2S)-2-aminopentanedioate
CID 174825686
sodium (2R)-2-amino-5-oxo-5-tetradecanoyloxypentanoate
CID 87959337
(2R)-2-amino-5-octoxy-5-oxopentanoic acid
CID 98550174
(2S)-2-amino-5-oxo-5-(2-oxoheptadecoxy)pentanoic acid
CID 174972982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid (CID 175416934) is (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid is CCCCCCCCC(=O)OC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid?
The InChIKey is QHQLSYNEDBGJNX-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO5/c1-2-3-4-5-6-7-8-12(16)20-13(17)10-9-11(15)14(18)19/h11H,2-10,15H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid?
(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid is sourced from PubChem (CID 175416934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).