(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide

C14H30N6O3 — CID 73355299

IUPAC(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NN
InChIInChI=1S/C14H30N6O3/c1-10(21)18-11(6-2-4-8-15)13(22)19-12(14(23)20-17)7-3-5-9-16/h11-12H,2-9,15-17H2,1H3,(H,18,21)(H,19,22)(H,20,23)/t11-,12-/m0/s1
InChIKeyDKTLLPIIQIKYQE-RYUDHWBXSA-N
MW330.43 g/mol
LogP-1.78
Rot. Bonds12

About (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide

(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide (PubChem CID 73355299) has the molecular formula C14H30N6O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide
PubChem CID73355299
Molecular FormulaC14H30N6O3
Molecular Weight330.43 g/mol
Exact Mass330.24
IUPAC Name(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NN
InChIInChI=1S/C14H30N6O3/c1-10(21)18-11(6-2-4-8-15)13(22)19-12(14(23)20-17)7-3-5-9-16/h11-12H,2-9,15-17H2,1H3,(H,18,21)(H,19,22)(H,20,23)/t11-,12-/m0/s1
InChIKeyDKTLLPIIQIKYQE-RYUDHWBXSA-N
XLogP-1.78
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 5-1.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide?
The IUPAC name of (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide (CID 73355299) is (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide?
The canonical SMILES for (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide is CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NN.
What is the InChIKey of (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide?
The InChIKey is DKTLLPIIQIKYQE-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H30N6O3/c1-10(21)18-11(6-2-4-8-15)13(22)19-12(14(23)20-17)7-3-5-9-16/h11-12H,2-9,15-17H2,1H3,(H,18,21)(H,19,22)(H,20,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide?
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide has a molecular weight of 330.43 g/mol, XLogP of -1.78, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide is sourced from PubChem (CID 73355299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).