2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea

C11H25N5O3 — CID 142430780

IUPAC2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea
SMILESCC(C)C(N)C(=O)NCC(N)=O.CCCNC(N)=O
InChIInChI=1S/C7H15N3O2.C4H10N2O/c1-4(2)6(9)7(12)10-3-5(8)11;1-2-3-6-4(5)7/h4,6H,3,9H2,1-2H3,(H2,8,11)(H,10,12);2-3H2,1H3,(H3,5,6,7)
InChIKeyPWCMQWZQDYCSQL-UHFFFAOYSA-N
MW275.35 g/mol
LogP-1.36
Rot. Bonds6

About 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea

2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea (PubChem CID 142430780) has the molecular formula C11H25N5O3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea
PubChem CID142430780
Molecular FormulaC11H25N5O3
Molecular Weight275.35 g/mol
Exact Mass275.20
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea
SMILESCC(C)C(N)C(=O)NCC(N)=O.CCCNC(N)=O
InChIInChI=1S/C7H15N3O2.C4H10N2O/c1-4(2)6(9)7(12)10-3-5(8)11;1-2-3-6-4(5)7/h4,6H,3,9H2,1-2H3,(H2,8,11)(H,10,12);2-3H2,1H3,(H3,5,6,7)
InChIKeyPWCMQWZQDYCSQL-UHFFFAOYSA-N
XLogP-1.36
TPSA153.33 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
Ac-leu-nhme
CID 6950977
Cyclo-L-Val-L-Val
CID 637596
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea (CID 142430780) is 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea is CC(C)C(N)C(=O)NCC(N)=O.CCCNC(N)=O.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea?
The InChIKey is PWCMQWZQDYCSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C4H10N2O/c1-4(2)6(9)7(12)10-3-5(8)11;1-2-3-6-4(5)7/h4,6H,3,9H2,1-2H3,(H2,8,11)(H,10,12);2-3H2,1H3,(H3,5,6,7).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea?
2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea has a molecular weight of 275.35 g/mol, XLogP of -1.36, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea is sourced from PubChem (CID 142430780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).