(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid

C12H21NO4 — CID 103555686

IUPAC(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOC1(CC(=O)N[C@@H](C(=O)O)C(C)C)CCC1
InChIInChI=1S/C12H21NO4/c1-8(2)10(11(15)16)13-9(14)7-12(17-3)5-4-6-12/h8,10H,4-7H2,1-3H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKeyIUMGQTCEPKUYIS-SNVBAGLBSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 103555686) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
PubChem CID103555686
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOC1(CC(=O)N[C@@H](C(=O)O)C(C)C)CCC1
InChIInChI=1S/C12H21NO4/c1-8(2)10(11(15)16)13-9(14)7-12(17-3)5-4-6-12/h8,10H,4-7H2,1-3H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKeyIUMGQTCEPKUYIS-SNVBAGLBSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(Tert-butoxy)carbonyl]amino}-2-(1-hydroxycyclobutyl)acetic acid
CID 20190609
(S)-2-((tert-Butoxycarbonyl)amino)-2-cyclobutylacetic acid
CID 34178694
2-{[(Tert-butoxy)carbonyl]amino}-2-(1-methoxycyclobutyl)acetic acid
CID 137955317
(2S)-2-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]propanoic acid
CID 103925682
(2R)-2-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]propanoic acid
CID 103925696
2-[[2,2-Difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]propanoic acid
CID 115909910
4,4,4-Trifluoro-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
CID 121642865
4,4,4-Trifluoro-2-[(3-hydroxy-3-propylhexanoyl)amino]butanoic acid
CID 121878528
3-Fluoro-2-[(3-hydroxy-3-propylhexanoyl)amino]propanoic acid
CID 121945350
4,4-Difluoro-2-[(3-hydroxy-3-propylhexanoyl)amino]butanoic acid
CID 121956250
2-[(6-Methoxy-6-oxohexanoyl)amino]-3-methylbutanoic acid
CID 18917777
2-(Cyclopentanecarbonylamino)-3-methoxy-3-methylbutanoic acid
CID 20131967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid (CID 103555686) is (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid is COC1(CC(=O)N[C@@H](C(=O)O)C(C)C)CCC1.
What is the InChIKey of (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is IUMGQTCEPKUYIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)10(11(15)16)13-9(14)7-12(17-3)5-4-6-12/h8,10H,4-7H2,1-3H3,(H,13,14)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 103555686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).