3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid

C8H19N3O3 — CID 161117685

IUPAC3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
SMILESCC(CN)C(=O)O.CC(CN)C(N)=O
InChIInChI=1S/C4H10N2O.C4H9NO2/c2*1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H2,6,7);3H,2,5H2,1H3,(H,6,7)
InChIKeyUKNLZGGKYJUXQP-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.27
Rot. Bonds4

About 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid

3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid (PubChem CID 161117685) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
PubChem CID161117685
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
SMILESCC(CN)C(=O)O.CC(CN)C(N)=O
InChIInChI=1S/C4H10N2O.C4H9NO2/c2*1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H2,6,7);3H,2,5H2,1H3,(H,6,7)
InChIKeyUKNLZGGKYJUXQP-UHFFFAOYSA-N
XLogP-1.27
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-methylbutanoic acid
CID 3759025
(2S)-4-amino-2-methylbutanamide
CID 87412339
(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247
3-amino-2-methylpropanoic acid;azane;bis(carbon dioxide);2-methylprop-2-enoic acid
CID 159178317
3-amino-2-methylpropanoic acid;(2S)-2-(methylamino)butanedioic acid
CID 90177526
(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid
CID 163867560
(2S)-5-amino-2-methyl-4-oxopentanoic acid
CID 122518877
5-amino-2-methylhexanamide
CID 71433088
4-(aminomethyl)-2-methylhexanoic acid
CID 177106642
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid
CID 163538883

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid?
The IUPAC name of 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid (CID 161117685) is 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid.
What is the SMILES notation for 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid?
The canonical SMILES for 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid is CC(CN)C(=O)O.CC(CN)C(N)=O.
What is the InChIKey of 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid?
The InChIKey is UKNLZGGKYJUXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.C4H9NO2/c2*1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H2,6,7);3H,2,5H2,1H3,(H,6,7).
What are the key properties of 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid?
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid has a molecular weight of 205.26 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid is sourced from PubChem (CID 161117685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).