2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

C18H33N3O3 — CID 122000564

IUPAC2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCCCC1CCCC1NC(=O)NC1CC(N(CC)CC(=O)O)C1
InChIInChI=1S/C18H33N3O3/c1-3-5-7-13-8-6-9-16(13)20-18(24)19-14-10-15(11-14)21(4-2)12-17(22)23/h13-16H,3-12H2,1-2H3,(H,22,23)(H2,19,20,24)
InChIKeyYGXAJZLNSBBBHF-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.58
Rot. Bonds9

About 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122000564) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122000564
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCCCC1CCCC1NC(=O)NC1CC(N(CC)CC(=O)O)C1
InChIInChI=1S/C18H33N3O3/c1-3-5-7-13-8-6-9-16(13)20-18(24)19-14-10-15(11-14)21(4-2)12-17(22)23/h13-16H,3-12H2,1-2H3,(H,22,23)(H2,19,20,24)
InChIKeyYGXAJZLNSBBBHF-UHFFFAOYSA-N
XLogP2.58
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122013452
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[[3-[(2,3-dimethylcyclohexyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122012717
(2-butylcyclopentyl)carbamic acid
CID 142463044
2-[[3-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007740
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
3-[(1R,2S)-2-butylcyclopentyl]-1-ethyl-1-methylurea
CID 95338254
2-[ethyl-[3-[[(2S)-1-propylpyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122014146
2-[ethyl-[3-(thian-4-ylmethylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002068
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[[3-[(1-cyclopropylcyclobutyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007560
2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122004400

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122000564) is 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCCCC1CCCC1NC(=O)NC1CC(N(CC)CC(=O)O)C1.
What is the InChIKey of 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is YGXAJZLNSBBBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-3-5-7-13-8-6-9-16(13)20-18(24)19-14-10-15(11-14)21(4-2)12-17(22)23/h13-16H,3-12H2,1-2H3,(H,22,23)(H2,19,20,24).
What are the key properties of 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 339.48 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122000564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).