2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid

C12H19N3O4 — CID 43656726

IUPAC2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)NC(=O)NC1CC1)CC1CC1
InChIInChI=1S/C12H19N3O4/c16-10(14-12(19)13-9-3-4-9)6-15(7-11(17)18)5-8-1-2-8/h8-9H,1-7H2,(H,17,18)(H2,13,14,16,19)
InChIKeySKHUWVROVXPBHP-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds7

About 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656726) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656726
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)NC(=O)NC1CC1)CC1CC1
InChIInChI=1S/C12H19N3O4/c16-10(14-12(19)13-9-3-4-9)6-15(7-11(17)18)5-8-1-2-8/h8-9H,1-7H2,(H,17,18)(H2,13,14,16,19)
InChIKeySKHUWVROVXPBHP-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79273289
2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 62626506
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656450
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656905
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
N-(cyclopropylcarbamoyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 113246277
3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60840718
2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
CID 106439202
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid (CID 43656726) is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC(=O)NC(=O)NC1CC1)CC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is SKHUWVROVXPBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10(14-12(19)13-9-3-4-9)6-15(7-11(17)18)5-8-1-2-8/h8-9H,1-7H2,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).