(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid

C13H25N3O3 — CID 107567774

IUPAC(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-6-10(11(17)18)15-12(19)14-9-13(16(2)3)7-5-8-13/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)/t10-/m0/s1
InChIKeyXIXSKHDFHVRKIB-JTQLQIEISA-N
MW271.36 g/mol
LogP1.02
Rot. Bonds7

About (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid

(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid (PubChem CID 107567774) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
PubChem CID107567774
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-6-10(11(17)18)15-12(19)14-9-13(16(2)3)7-5-8-13/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)/t10-/m0/s1
InChIKeyXIXSKHDFHVRKIB-JTQLQIEISA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid
CID 105419510
(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
CID 107146456
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 105419519
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pent-4-ynoic acid
CID 105419566
(2S)-4-amino-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobutanoic acid
CID 83113497
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 105419941
4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
CID 114101487
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 107566702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid (CID 107567774) is (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCC1(N(C)C)CCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid?
The InChIKey is XIXSKHDFHVRKIB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-6-10(11(17)18)15-12(19)14-9-13(16(2)3)7-5-8-13/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid?
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107567774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).