(2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide

C14H28N4O3 — CID 138603820

IUPAC(2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H28N4O3/c1-9(2)8-12(13(16)20)18-14(21)11(17-10(3)19)6-4-5-7-15/h9,11-12H,4-8,15H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21)/t11-,12-/m0/s1
InChIKeyFWNCPLGAOVROKH-RYUDHWBXSA-N
MW300.40 g/mol
LogP-0.36
Rot. Bonds10

About (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide

(2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide (PubChem CID 138603820) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide
PubChem CID138603820
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name(2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H28N4O3/c1-9(2)8-12(13(16)20)18-14(21)11(17-10(3)19)6-4-5-7-15/h9,11-12H,4-8,15H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21)/t11-,12-/m0/s1
InChIKeyFWNCPLGAOVROKH-RYUDHWBXSA-N
XLogP-0.36
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide?
The IUPAC name of (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide (CID 138603820) is (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide?
The canonical SMILES for (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide is CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide?
The InChIKey is FWNCPLGAOVROKH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-9(2)8-12(13(16)20)18-14(21)11(17-10(3)19)6-4-5-7-15/h9,11-12H,4-8,15H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide?
(2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide has a molecular weight of 300.40 g/mol, XLogP of -0.36, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide is sourced from PubChem (CID 138603820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).