(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide

C8H17N3O2 — CID 87212961

IUPAC(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide
SMILESCN(C(N)=O)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)5(9)6(12)11(4)7(10)13/h5H,9H2,1-4H3,(H2,10,13)/t5-/m1/s1
InChIKeyIGATZQNKIVBWFN-RXMQYKEDSA-N
MW187.24 g/mol
LogP-0.10
Rot. Bonds1

About (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide

(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide (PubChem CID 87212961) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide
PubChem CID87212961
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide
SMILESCN(C(N)=O)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)5(9)6(12)11(4)7(10)13/h5H,9H2,1-4H3,(H2,10,13)/t5-/m1/s1
InChIKeyIGATZQNKIVBWFN-RXMQYKEDSA-N
XLogP-0.10
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
tert-butyl N-[(2S)-1-[carbamoyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 87212977
2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
CID 173122588
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide (CID 87212961) is (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide is CN(C(N)=O)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide?
The InChIKey is IGATZQNKIVBWFN-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(2,3)5(9)6(12)11(4)7(10)13/h5H,9H2,1-4H3,(H2,10,13)/t5-/m1/s1.
What are the key properties of (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide?
(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide has a molecular weight of 187.24 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide is sourced from PubChem (CID 87212961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).