methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate

C14H25NO3 — CID 147073642

IUPACmethyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)NC1(C(C)C)CC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)11(8-12(16)18-5)13(17)15-14(6-7-14)10(3)4/h9-11H,6-8H2,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyBFNMVGKUXYOWQB-NSHDSACASA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds6

About methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate

methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate (PubChem CID 147073642) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate.

Molecular Properties

Compound Namemethyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate
PubChem CID147073642
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)NC1(C(C)C)CC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)11(8-12(16)18-5)13(17)15-14(6-7-14)10(3)4/h9-11H,6-8H2,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyBFNMVGKUXYOWQB-NSHDSACASA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate?
The IUPAC name of methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate (CID 147073642) is methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate.
What is the SMILES notation for methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate?
The canonical SMILES for methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate is COC(=O)C[C@H](C(=O)NC1(C(C)C)CC1)C(C)C.
What is the InChIKey of methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate?
The InChIKey is BFNMVGKUXYOWQB-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)11(8-12(16)18-5)13(17)15-14(6-7-14)10(3)4/h9-11H,6-8H2,1-5H3,(H,15,17)/t11-/m0/s1.
What are the key properties of methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate?
methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate has a molecular weight of 255.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-methyl-3-[(1-propan-2-ylcyclopropyl)carbamoyl]pentanoate is sourced from PubChem (CID 147073642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).