3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid

C9H17N3O4 — CID 103103591

IUPAC3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(N)=O)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-12(5-7(10)13)9(16)11-4-6(2)8(14)15/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyZLOSWEZKYXBXRE-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.78
Rot. Bonds6

About 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid

3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 103103591) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID103103591
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(N)=O)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-12(5-7(10)13)9(16)11-4-6(2)8(14)15/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyZLOSWEZKYXBXRE-UHFFFAOYSA-N
XLogP-0.78
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670819
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid
CID 103103599
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
2-[[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]methyl]butanoic acid
CID 65222571
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
CID 103103551
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid (CID 103103591) is 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid is CCN(CC(N)=O)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is ZLOSWEZKYXBXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-3-12(5-7(10)13)9(16)11-4-6(2)8(14)15/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,16)(H,14,15).
What are the key properties of 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 103103591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).