2-amino-3-(2-methylpentan-2-ylamino)propanamide

C9H21N3O — CID 103264433

IUPAC2-amino-3-(2-methylpentan-2-ylamino)propanamide
SMILESCCCC(C)(C)NCC(N)C(N)=O
InChIInChI=1S/C9H21N3O/c1-4-5-9(2,3)12-6-7(10)8(11)13/h7,12H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyOTLJSZWRFWHVIN-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.03
Rot. Bonds6

About 2-amino-3-(2-methylpentan-2-ylamino)propanamide

2-amino-3-(2-methylpentan-2-ylamino)propanamide (PubChem CID 103264433) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-amino-3-(2-methylpentan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-methylpentan-2-ylamino)propanamide
PubChem CID103264433
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-amino-3-(2-methylpentan-2-ylamino)propanamide
SMILESCCCC(C)(C)NCC(N)C(N)=O
InChIInChI=1S/C9H21N3O/c1-4-5-9(2,3)12-6-7(10)8(11)13/h7,12H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyOTLJSZWRFWHVIN-UHFFFAOYSA-N
XLogP-0.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
CID 106294471
2-amino-3-(butylamino)propanamide
CID 103232681
(2S)-2-aminopropanamide;2,2-dimethylpentane
CID 175210028
2-carbamoyl-4,4-dimethylheptanoic acid
CID 87260001
2-(2-methylpentan-2-ylamino)ethanol
CID 23342156
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 89292350
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264
3,3-dimethyl-2-(propylamino)butanamide
CID 61325789
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylpentan-2-ylamino)propanamide?
The IUPAC name of 2-amino-3-(2-methylpentan-2-ylamino)propanamide (CID 103264433) is 2-amino-3-(2-methylpentan-2-ylamino)propanamide.
What is the SMILES notation for 2-amino-3-(2-methylpentan-2-ylamino)propanamide?
The canonical SMILES for 2-amino-3-(2-methylpentan-2-ylamino)propanamide is CCCC(C)(C)NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(2-methylpentan-2-ylamino)propanamide?
The InChIKey is OTLJSZWRFWHVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-5-9(2,3)12-6-7(10)8(11)13/h7,12H,4-6,10H2,1-3H3,(H2,11,13).
What are the key properties of 2-amino-3-(2-methylpentan-2-ylamino)propanamide?
2-amino-3-(2-methylpentan-2-ylamino)propanamide has a molecular weight of 187.29 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylpentan-2-ylamino)propanamide is sourced from PubChem (CID 103264433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).