2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride

C10H22ClN3O2 — CID 119297115

IUPAC2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)C(C)N.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-4-7(2)13-9(14)5-6-12-10(15)8(3)11;/h7-8H,4-6,11H2,1-3H3,(H,12,15)(H,13,14);1H
InChIKeyWSAFEELPUGBLFW-UHFFFAOYSA-N
MW251.76 g/mol
LogP0.18
Rot. Bonds6

About 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride

2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride (PubChem CID 119297115) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
PubChem CID119297115
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC Name2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)C(C)N.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-4-7(2)13-9(14)5-6-12-10(15)8(3)11;/h7-8H,4-6,11H2,1-3H3,(H,12,15)(H,13,14);1H
InChIKeyWSAFEELPUGBLFW-UHFFFAOYSA-N
XLogP0.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
CID 143230381
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride (CID 119297115) is 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride is CCC(C)NC(=O)CCNC(=O)C(C)N.Cl.
What is the InChIKey of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride?
The InChIKey is WSAFEELPUGBLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-4-7(2)13-9(14)5-6-12-10(15)8(3)11;/h7-8H,4-6,11H2,1-3H3,(H,12,15)(H,13,14);1H.
What are the key properties of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride?
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride is sourced from PubChem (CID 119297115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).