(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid

C9H17NO3 — CID 165445623

IUPAC(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid
SMILESN[C@@H](CCOCC1CCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c10-8(9(11)12)4-5-13-6-7-2-1-3-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyVGZCSTNUFJDXHV-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.61
Rot. Bonds6

About (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid

(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid (PubChem CID 165445623) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid
PubChem CID165445623
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid
SMILESN[C@@H](CCOCC1CCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c10-8(9(11)12)4-5-13-6-7-2-1-3-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyVGZCSTNUFJDXHV-QMMMGPOBSA-N
XLogP0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244
4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501
4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
CID 63034967
3-methylbutoxymethylcyclobutane
CID 66602657
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
CID 63040806
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid (CID 165445623) is (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid is N[C@@H](CCOCC1CCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid?
The InChIKey is VGZCSTNUFJDXHV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c10-8(9(11)12)4-5-13-6-7-2-1-3-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid?
(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid is sourced from PubChem (CID 165445623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).