(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide

C9H20N2O2 — CID 79024351

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
SMILESCCCN(CCO)C(=O)[C@@H](N)CC
InChIInChI=1S/C9H20N2O2/c1-3-5-11(6-7-12)9(13)8(10)4-2/h8,12H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyPVHMCEYZKVYSDU-QMMMGPOBSA-N
MW188.27 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide

(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide (PubChem CID 79024351) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
PubChem CID79024351
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
SMILESCCCN(CCO)C(=O)[C@@H](N)CC
InChIInChI=1S/C9H20N2O2/c1-3-5-11(6-7-12)9(13)8(10)4-2/h8,12H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyPVHMCEYZKVYSDU-QMMMGPOBSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
2-amino-N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 62473961
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
CID 79023216
2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 103513896
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 107571038
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide (CID 79024351) is (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide is CCCN(CCO)C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide?
The InChIKey is PVHMCEYZKVYSDU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-11(6-7-12)9(13)8(10)4-2/h8,12H,3-7,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide has a molecular weight of 188.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide is sourced from PubChem (CID 79024351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).