propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate

C14H24N4O3 — CID 71853459

IUPACpropan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate
SMILESCC(C)C[C@H](NC(=O)Nc1ccn(C)n1)C(=O)OC(C)C
InChIInChI=1S/C14H24N4O3/c1-9(2)8-11(13(19)21-10(3)4)15-14(20)16-12-6-7-18(5)17-12/h6-7,9-11H,8H2,1-5H3,(H2,15,16,17,20)/t11-/m0/s1
InChIKeyPRGWBCBFUTWIRM-NSHDSACASA-N
MW296.37 g/mol
LogP1.91
Rot. Bonds6

About propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate

propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate (PubChem CID 71853459) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate
PubChem CID71853459
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Namepropan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate
SMILESCC(C)C[C@H](NC(=O)Nc1ccn(C)n1)C(=O)OC(C)C
InChIInChI=1S/C14H24N4O3/c1-9(2)8-11(13(19)21-10(3)4)15-14(20)16-12-6-7-18(5)17-12/h6-7,9-11H,8H2,1-5H3,(H2,15,16,17,20)/t11-/m0/s1
InChIKeyPRGWBCBFUTWIRM-NSHDSACASA-N
XLogP1.91
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate?
The IUPAC name of propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate (CID 71853459) is propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate.
What is the SMILES notation for propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate?
The canonical SMILES for propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate is CC(C)C[C@H](NC(=O)Nc1ccn(C)n1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate?
The InChIKey is PRGWBCBFUTWIRM-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(2)8-11(13(19)21-10(3)4)15-14(20)16-12-6-7-18(5)17-12/h6-7,9-11H,8H2,1-5H3,(H2,15,16,17,20)/t11-/m0/s1.
What are the key properties of propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate?
propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate has a molecular weight of 296.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoate is sourced from PubChem (CID 71853459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).