2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid

C12H23N3O4 — CID 113410918

IUPAC2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCCC(=O)NCC(C)C
InChIInChI=1S/C12H23N3O4/c1-4-15(8-11(17)18)12(19)13-6-5-10(16)14-7-9(2)3/h9H,4-8H2,1-3H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyWBHPNSLBUBZYOD-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.26
Rot. Bonds8

About 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid

2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid (PubChem CID 113410918) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
PubChem CID113410918
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCCC(=O)NCC(C)C
InChIInChI=1S/C12H23N3O4/c1-4-15(8-11(17)18)12(19)13-6-5-10(16)14-7-9(2)3/h9H,4-8H2,1-3H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyWBHPNSLBUBZYOD-UHFFFAOYSA-N
XLogP0.26
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 108570927
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid
CID 103995654
3-(diethylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 113226661

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid (CID 113410918) is 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)NCCC(=O)NCC(C)C.
What is the InChIKey of 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
The InChIKey is WBHPNSLBUBZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-15(8-11(17)18)12(19)13-6-5-10(16)14-7-9(2)3/h9H,4-8H2,1-3H3,(H,13,19)(H,14,16)(H,17,18).
What are the key properties of 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 113410918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).