(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid

C15H28N2O3 — CID 107146287

IUPAC(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-7-8-10(12(18)19)17-13(20)16-9-11-14(2,3)15(11,4)5/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1
InChIKeyXFLLEYBCJOKEKC-JTQLQIEISA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds7

About (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid

(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid (PubChem CID 107146287) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
PubChem CID107146287
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-7-8-10(12(18)19)17-13(20)16-9-11-14(2,3)15(11,4)5/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1
InChIKeyXFLLEYBCJOKEKC-JTQLQIEISA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 79350592
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 107145224
(2S)-2-(2-methylbutylcarbamoylamino)hexanoic acid
CID 107146017
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]hexanoic acid
CID 63896583
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
CID 61189907
(2S)-2-[(3-amino-3-oxopropyl)carbamoylamino]hexanoic acid
CID 107145514
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123
2-[3-(cyclopropylamino)propylcarbamoylamino]hexanoic acid
CID 61404756
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513
2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
CID 61200748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid (CID 107146287) is (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid is CCCC[C@H](NC(=O)NCC1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is XFLLEYBCJOKEKC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-7-8-10(12(18)19)17-13(20)16-9-11-14(2,3)15(11,4)5/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 107146287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).