2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid

C19H35N3O4 — CID 122026166

IUPAC2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C)C2CC(OC)C2(CC)CC)C1
InChIInChI=1S/C19H35N3O4/c1-6-19(7-2)15(11-16(19)26-5)21(4)18(25)20-13-9-14(10-13)22(8-3)12-17(23)24/h13-16H,6-12H2,1-5H3,(H,20,25)(H,23,24)
InChIKeyXVDRVDFPHSYDPV-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.16
Rot. Bonds9

About 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122026166) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122026166
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C)C2CC(OC)C2(CC)CC)C1
InChIInChI=1S/C19H35N3O4/c1-6-19(7-2)15(11-16(19)26-5)21(4)18(25)20-13-9-14(10-13)22(8-3)12-17(23)24/h13-16H,6-12H2,1-5H3,(H,20,25)(H,23,24)
InChIKeyXVDRVDFPHSYDPV-UHFFFAOYSA-N
XLogP2.16
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[3-[[(3-butoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026335
2-[ethyl-[3-(2-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122014845
2-[[3-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026101
2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025313
(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide
CID 100598355
2-[[3-[(2,2-dimethylcyclopropyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122001969
2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid
CID 129333452
2-[ethyl-[3-[(2-methoxy-2-phenylacetyl)amino]cyclobutyl]amino]acetic acid
CID 128967528
2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122000048
2-[ethyl-[3-[[(2S)-1-[methyl(propan-2-yl)amino]propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122014720
2-[ethyl-[3-[(1-methylcyclopropyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005006
2-[[3-[(4-chloro-2-methoxyphenyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122001341

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 122026166) is 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N(C)C2CC(OC)C2(CC)CC)C1.
What is the InChIKey of 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is XVDRVDFPHSYDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-6-19(7-2)15(11-16(19)26-5)21(4)18(25)20-13-9-14(10-13)22(8-3)12-17(23)24/h13-16H,6-12H2,1-5H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 369.51 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122026166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).