2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid

C12H21N3O4 — CID 113410869

IUPAC2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
SMILESCCNC(=O)CCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H21N3O4/c1-2-13-10(16)5-6-14-12(19)15(8-11(17)18)7-9-3-4-9/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyLNQWQEYWQCTFQB-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds8

About 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid (PubChem CID 113410869) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
PubChem CID113410869
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
SMILESCCNC(=O)CCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H21N3O4/c1-2-13-10(16)5-6-14-12(19)15(8-11(17)18)7-9-3-4-9/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyLNQWQEYWQCTFQB-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61408059
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
CID 103996414
2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
CID 103995923
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410918
2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61380602
2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471940
2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
2-[cyclopropylmethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63330568

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid (CID 113410869) is 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid is CCNC(=O)CCNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
The InChIKey is LNQWQEYWQCTFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-13-10(16)5-6-14-12(19)15(8-11(17)18)7-9-3-4-9/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 113410869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).