2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid

C14H20N2O3S — CID 61475859

IUPAC2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1ccc(C(C)NC(=O)N(CC(=O)O)CC2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-9-3-6-12(20-9)10(2)15-14(19)16(8-13(17)18)7-11-4-5-11/h3,6,10-11H,4-5,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYTJLIEWTZRLCQF-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.62
Rot. Bonds6

About 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 61475859) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID61475859
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1ccc(C(C)NC(=O)N(CC(=O)O)CC2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-9-3-6-12(20-9)10(2)15-14(19)16(8-13(17)18)7-11-4-5-11/h3,6,10-11H,4-5,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYTJLIEWTZRLCQF-UHFFFAOYSA-N
XLogP2.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-methylthiophen-2-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 61475694
2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 113364523
1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095422
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
2-[1-(5-bromothiophen-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054657
2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124
2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea
CID 53497872
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid (CID 61475859) is 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid is Cc1ccc(C(C)NC(=O)N(CC(=O)O)CC2CC2)s1.
What is the InChIKey of 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is YTJLIEWTZRLCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-3-6-12(20-9)10(2)15-14(19)16(8-13(17)18)7-11-4-5-11/h3,6,10-11H,4-5,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 61475859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).