[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid

C10H21N3O3 — CID 57250852

IUPAC[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
SMILESCCCNC(=O)C(N)CCCCNC(=O)O
InChIInChI=1S/C10H21N3O3/c1-2-6-12-9(14)8(11)5-3-4-7-13-10(15)16/h8,13H,2-7,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyDECFSSATFKABTI-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.28
Rot. Bonds8

About [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid

[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid (PubChem CID 57250852) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid.

Molecular Properties

Compound Name[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
PubChem CID57250852
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
SMILESCCCNC(=O)C(N)CCCCNC(=O)O
InChIInChI=1S/C10H21N3O3/c1-2-6-12-9(14)8(11)5-3-4-7-13-10(15)16/h8,13H,2-7,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyDECFSSATFKABTI-UHFFFAOYSA-N
XLogP0.28
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-6-(cyanomethylamino)-6-oxohexyl]carbamic acid
CID 87849237
2-amino-N-hexylhexanamide
CID 60852762
2-amino-N-propylpentanamide
CID 43649977
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
2-amino-5-methoxy-N-propylpentanamide
CID 81082005

Frequently Asked Questions

What is the IUPAC name of [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid?
The IUPAC name of [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid (CID 57250852) is [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid.
What is the SMILES notation for [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid?
The canonical SMILES for [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid is CCCNC(=O)C(N)CCCCNC(=O)O.
What is the InChIKey of [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid?
The InChIKey is DECFSSATFKABTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-2-6-12-9(14)8(11)5-3-4-7-13-10(15)16/h8,13H,2-7,11H2,1H3,(H,12,14)(H,15,16).
What are the key properties of [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid?
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid has a molecular weight of 231.30 g/mol, XLogP of 0.28, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid is sourced from PubChem (CID 57250852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).