(2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide

C9H20N4O2 — CID 7016879

IUPAC(2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide
SMILESC[C@H](NC(=O)[C@@H](N)CCCCN)C(N)=O
InChIInChI=1S/C9H20N4O2/c1-6(8(12)14)13-9(15)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H2,12,14)(H,13,15)/t6-,7-/m0/s1
InChIKeyKMYRMLZSDUYOBP-BQBZGAKWSA-N
MW216.28 g/mol
LogP-1.57
Rot. Bonds7

About (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide

(2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide (PubChem CID 7016879) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide
PubChem CID7016879
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name(2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide
SMILESC[C@H](NC(=O)[C@@H](N)CCCCN)C(N)=O
InChIInChI=1S/C9H20N4O2/c1-6(8(12)14)13-9(15)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H2,12,14)(H,13,15)/t6-,7-/m0/s1
InChIKeyKMYRMLZSDUYOBP-BQBZGAKWSA-N
XLogP-1.57
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.57
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)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide (CID 7016879) is (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide is C[C@H](NC(=O)[C@@H](N)CCCCN)C(N)=O.
What is the InChIKey of (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide?
The InChIKey is KMYRMLZSDUYOBP-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-6(8(12)14)13-9(15)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H2,12,14)(H,13,15)/t6-,7-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide?
(2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide has a molecular weight of 216.28 g/mol, XLogP of -1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide is sourced from PubChem (CID 7016879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).