(3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one

C9H21N3O — CID 22841856

IUPAC(3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one
SMILES[2H]C(CCCC)NCC(=O)[C@H](N)CN
InChIInChI=1S/C9H21N3O/c1-2-3-4-5-12-7-9(13)8(11)6-10/h8,12H,2-7,10-11H2,1H3/t8-/m1/s1/i5D/t5?,8-
InChIKeyKDRLRHSSCMJHTL-FPLGDQBJSA-N
MW188.29 g/mol
LogP-0.38
Rot. Bonds8

About (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one

(3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one (PubChem CID 22841856) has the molecular formula C9H21N3O and a molecular weight of 188.29 g/mol. Its IUPAC name is (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one.

Molecular Properties

Compound Name(3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one
PubChem CID22841856
Molecular FormulaC9H21N3O
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one
SMILES[2H]C(CCCC)NCC(=O)[C@H](N)CN
InChIInChI=1S/C9H21N3O/c1-2-3-4-5-12-7-9(13)8(11)6-10/h8,12H,2-7,10-11H2,1H3/t8-/m1/s1/i5D/t5?,8-
InChIKeyKDRLRHSSCMJHTL-FPLGDQBJSA-N
XLogP-0.38
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-Ethylenediiminodi(pentane-2-one)
CID 21331280
1-Acetylspermine
CID 59119182
1-Methyl-3-propionylpiperazine
CID 3030170
Decyl-3-acetyldieth ylentriamin
CID 129779001
1-Acetyl-1,7-diamino-4-azaheptane
CID 129843914
1-Acetyl-1,11-diamino-4,8-diazaundecane
CID 129844125
1-Acetyl-1,12-diamino-4,8-diazadodecane
CID 129844131
(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one
CID 135040309
2-(Pentylamino)propanamide
CID 12878204
1-(1,4-Diazepan-2-yl)propan-1-one
CID 17766037
1-(Pentan-2-ylamino)propan-2-one
CID 17841363
1-Piperazin-2-ylpropan-1-one
CID 19846296

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one?
The IUPAC name of (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one (CID 22841856) is (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one.
What is the SMILES notation for (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one?
The canonical SMILES for (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one is [2H]C(CCCC)NCC(=O)[C@H](N)CN.
What is the InChIKey of (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one?
The InChIKey is KDRLRHSSCMJHTL-FPLGDQBJSA-N. The full InChI is InChI=1S/C9H21N3O/c1-2-3-4-5-12-7-9(13)8(11)6-10/h8,12H,2-7,10-11H2,1H3/t8-/m1/s1/i5D/t5?,8-.
What are the key properties of (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one?
(3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one has a molecular weight of 188.29 g/mol, XLogP of -0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-diamino-1-(1-deuteriopentylamino)butan-2-one is sourced from PubChem (CID 22841856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).