(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid

C15H25NO4 — CID 124689103

IUPAC(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid
SMILESC[C@@H]1CC[C@@H](CCC(=O)N(C[C@H](C)C(=O)O)C2CC2)O1
InChIInChI=1S/C15H25NO4/c1-10(15(18)19)9-16(12-4-5-12)14(17)8-7-13-6-3-11(2)20-13/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11+,13-/m0/s1
InChIKeySATBJAIXVPNRMN-LOWVWBTDSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds7

About (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid

(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid (PubChem CID 124689103) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid
PubChem CID124689103
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid
SMILESC[C@@H]1CC[C@@H](CCC(=O)N(C[C@H](C)C(=O)O)C2CC2)O1
InChIInChI=1S/C15H25NO4/c1-10(15(18)19)9-16(12-4-5-12)14(17)8-7-13-6-3-11(2)20-13/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11+,13-/m0/s1
InChIKeySATBJAIXVPNRMN-LOWVWBTDSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Methyl-[3-(oxolan-2-yl)propanoyl]amino]butanoic acid
CID 43360043
3-[3-(Oxolan-2-yl)propanoylamino]butanoic acid
CID 43360865
2-[Cyclopropylmethyl-[3-(oxolan-2-yl)propanoyl]amino]acetic acid
CID 43655246
6-[Cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447
Methyl 3-[ethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54899025
2-[1-[3-(Oxolan-2-yl)propanoyl]piperidin-2-yl]acetic acid
CID 54899515
3-[3-(Oxolan-2-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 54926652
4-[3-(Oxolan-2-yl)propanoyl-propan-2-ylamino]butanoic acid
CID 54926841
2-[Cyclopropyl-[3-(oxolan-2-yl)propanoyl]amino]acetic acid
CID 54946219
Methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54979906
2-Methyl-3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoic acid
CID 55008154
Methyl 2-methyl-3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 55008447

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid (CID 124689103) is (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid is C[C@@H]1CC[C@@H](CCC(=O)N(C[C@H](C)C(=O)O)C2CC2)O1.
What is the InChIKey of (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid?
The InChIKey is SATBJAIXVPNRMN-LOWVWBTDSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(15(18)19)9-16(12-4-5-12)14(17)8-7-13-6-3-11(2)20-13/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11+,13-/m0/s1.
What are the key properties of (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid?
(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 124689103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).