(3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one

C10H21N3O2 — CID 166782161

IUPAC(3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one
SMILESCC(=O)CNCC(=O)[C@H](N)CCCCN
InChIInChI=1S/C10H21N3O2/c1-8(14)6-13-7-10(15)9(12)4-2-3-5-11/h9,13H,2-7,11-12H2,1H3/t9-/m1/s1
InChIKeyTVIKMILOWKZGMT-SECBINFHSA-N
MW215.30 g/mol
LogP-0.81
Rot. Bonds9

About (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one

(3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one (PubChem CID 166782161) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one.

Molecular Properties

Compound Name(3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one
PubChem CID166782161
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one
SMILESCC(=O)CNCC(=O)[C@H](N)CCCCN
InChIInChI=1S/C10H21N3O2/c1-8(14)6-13-7-10(15)9(12)4-2-3-5-11/h9,13H,2-7,11-12H2,1H3/t9-/m1/s1
InChIKeyTVIKMILOWKZGMT-SECBINFHSA-N
XLogP-0.81
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
(3S)-1-(1-acetylcyclopropyl)-3,7-diaminoheptan-2-one
CID 161360902
acetic acid;bis(2,6-diaminohexanoic acid);hydrochloride
CID 174780246
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
acetamido (2S)-2,6-diaminohexanoate
CID 57012610
(2S)-2,6-diaminohexanoic acid;N-ethylethanamine
CID 89392490
methyl 5,9-diamino-2-(4-aminobutyl)-4-oxononanoate
CID 118653709
2,6-diamino-N-methylhexanamide;ethane
CID 142474602
acetaldehyde;(2S)-2,6-diaminohexanoic acid
CID 87191323
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one?
The IUPAC name of (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one (CID 166782161) is (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one.
What is the SMILES notation for (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one?
The canonical SMILES for (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one is CC(=O)CNCC(=O)[C@H](N)CCCCN.
What is the InChIKey of (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one?
The InChIKey is TVIKMILOWKZGMT-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(14)6-13-7-10(15)9(12)4-2-3-5-11/h9,13H,2-7,11-12H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one?
(3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one has a molecular weight of 215.30 g/mol, XLogP of -0.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one is sourced from PubChem (CID 166782161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).