N-(3-amino-2-hydroxypropyl)butanamide

C7H16N2O2 — CID 167081643

IUPACN-(3-amino-2-hydroxypropyl)butanamide
SMILESCCCC(=O)NCC(O)CN
InChIInChI=1S/C7H16N2O2/c1-2-3-7(11)9-5-6(10)4-8/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyGYXZXKWVHIPIAP-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.78
Rot. Bonds5

About N-(3-amino-2-hydroxypropyl)butanamide

N-(3-amino-2-hydroxypropyl)butanamide (PubChem CID 167081643) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)butanamide
PubChem CID167081643
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN-(3-amino-2-hydroxypropyl)butanamide
SMILESCCCC(=O)NCC(O)CN
InChIInChI=1S/C7H16N2O2/c1-2-3-7(11)9-5-6(10)4-8/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyGYXZXKWVHIPIAP-UHFFFAOYSA-N
XLogP-0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide
CID 118288450
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
N-(3-amino-2-hydroxypropyl)-3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-[2-[bis[2-[bis[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
CID 118288451
(9Z,12Z)-N-(3-amino-2-hydroxypropyl)octadeca-9,12-dienamide
CID 135070978
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide
CID 118722772
1-(3-amino-2-hydroxypropyl)-3-ethylurea
CID 131223085
N-(2-chloropropyl)butanamide
CID 57294659
N-(2-amino-3-ethylpentyl)butanamide
CID 106285745
N-(2-hydroxypentyl)pentanamide
CID 115700612
N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide
CID 118288460
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)butanamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)butanamide (CID 167081643) is N-(3-amino-2-hydroxypropyl)butanamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)butanamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)butanamide is CCCC(=O)NCC(O)CN.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)butanamide?
The InChIKey is GYXZXKWVHIPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-3-7(11)9-5-6(10)4-8/h6,10H,2-5,8H2,1H3,(H,9,11).
What are the key properties of N-(3-amino-2-hydroxypropyl)butanamide?
N-(3-amino-2-hydroxypropyl)butanamide has a molecular weight of 160.22 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)butanamide is sourced from PubChem (CID 167081643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).