2-amino-3-(2-methylpropylamino)propanamide

C7H17N3O — CID 103231048

IUPAC2-amino-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCC(N)C(N)=O
InChIInChI=1S/C7H17N3O/c1-5(2)3-10-4-6(8)7(9)11/h5-6,10H,3-4,8H2,1-2H3,(H2,9,11)
InChIKeyDQBQLBMLXVOVOO-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.96
Rot. Bonds5

About 2-amino-3-(2-methylpropylamino)propanamide

2-amino-3-(2-methylpropylamino)propanamide (PubChem CID 103231048) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-amino-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-methylpropylamino)propanamide
PubChem CID103231048
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-amino-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCC(N)C(N)=O
InChIInChI=1S/C7H17N3O/c1-5(2)3-10-4-6(8)7(9)11/h5-6,10H,3-4,8H2,1-2H3,(H2,9,11)
InChIKeyDQBQLBMLXVOVOO-UHFFFAOYSA-N
XLogP-0.96
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-(2,3-dihydroxypropylamino)propanamide
CID 103256231
2,3-dihydroxy-4-(2-methylpropylamino)butanamide
CID 91040731
2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103239204
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]propanamide
CID 103253317
2-amino-3-(butylamino)propanamide
CID 103232681
CID 175939227
CID 175939227
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylpropylamino)propanamide?
The IUPAC name of 2-amino-3-(2-methylpropylamino)propanamide (CID 103231048) is 2-amino-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for 2-amino-3-(2-methylpropylamino)propanamide?
The canonical SMILES for 2-amino-3-(2-methylpropylamino)propanamide is CC(C)CNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(2-methylpropylamino)propanamide?
The InChIKey is DQBQLBMLXVOVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-5(2)3-10-4-6(8)7(9)11/h5-6,10H,3-4,8H2,1-2H3,(H2,9,11).
What are the key properties of 2-amino-3-(2-methylpropylamino)propanamide?
2-amino-3-(2-methylpropylamino)propanamide has a molecular weight of 159.23 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 103231048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).