4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide

C8H18N2O2 — CID 107221231

IUPAC4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NC[C@H](C)O
InChIInChI=1S/C8H18N2O2/c1-6(4-9)3-8(12)10-5-7(2)11/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1
InChIKeyBLTRMJRCSHSIHR-MLWJPKLSSA-N
MW174.24 g/mol
LogP-0.53
Rot. Bonds5

About 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide

4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide (PubChem CID 107221231) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
PubChem CID107221231
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NC[C@H](C)O
InChIInChI=1S/C8H18N2O2/c1-6(4-9)3-8(12)10-5-7(2)11/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1
InChIKeyBLTRMJRCSHSIHR-MLWJPKLSSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
CID 119995769
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
CID 81086781
4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
CID 115156508
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide (CID 107221231) is 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide is CC(CN)CC(=O)NC[C@H](C)O.
What is the InChIKey of 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
The InChIKey is BLTRMJRCSHSIHR-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(4-9)3-8(12)10-5-7(2)11/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide is sourced from PubChem (CID 107221231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).