(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid

C15H29N3O3 — CID 107146456

IUPAC(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-4-5-8-12(13(19)20)17-14(21)16-11-15(18(2)3)9-6-7-10-15/h12H,4-11H2,1-3H3,(H,19,20)(H2,16,17,21)/t12-/m0/s1
InChIKeyKZGKZJJKLDPMQT-LBPRGKRZSA-N
MW299.42 g/mol
LogP1.80
Rot. Bonds8

About (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid

(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid (PubChem CID 107146456) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
PubChem CID107146456
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-4-5-8-12(13(19)20)17-14(21)16-11-15(18(2)3)9-6-7-10-15/h12H,4-11H2,1-3H3,(H,19,20)(H2,16,17,21)/t12-/m0/s1
InChIKeyKZGKZJJKLDPMQT-LBPRGKRZSA-N
XLogP1.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.80
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)cyclobutyl]methylcarbamoylamino]pentanoic acid
CID 107567774
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 105419519
(2S)-4-amino-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobutanoic acid
CID 83113497
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pent-4-ynoic acid
CID 105419566
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 107145224
4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
CID 114101487
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
CID 83121021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid (CID 107146456) is (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid is CCCC[C@H](NC(=O)NCC1(N(C)C)CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid?
The InChIKey is KZGKZJJKLDPMQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-5-8-12(13(19)20)17-14(21)16-11-15(18(2)3)9-6-7-10-15/h12H,4-11H2,1-3H3,(H,19,20)(H2,16,17,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid?
(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 107146456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).