(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid

C11H18N4O4 — CID 114131625

IUPAC(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid
SMILESCc1cnn(CCNC(=O)NCC[C@H](O)C(=O)O)c1
InChIInChI=1S/C11H18N4O4/c1-8-6-14-15(7-8)5-4-13-11(19)12-3-2-9(16)10(17)18/h6-7,9,16H,2-5H2,1H3,(H,17,18)(H2,12,13,19)/t9-/m0/s1
InChIKeySOYXMCXTQRDCPF-VIFPVBQESA-N
MW270.29 g/mol
LogP-0.67
Rot. Bonds7

About (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid

(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 114131625) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid
PubChem CID114131625
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid
SMILESCc1cnn(CCNC(=O)NCC[C@H](O)C(=O)O)c1
InChIInChI=1S/C11H18N4O4/c1-8-6-14-15(7-8)5-4-13-11(19)12-3-2-9(16)10(17)18/h6-7,9,16H,2-5H2,1H3,(H,17,18)(H2,12,13,19)/t9-/m0/s1
InChIKeySOYXMCXTQRDCPF-VIFPVBQESA-N
XLogP-0.67
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
CID 113363990
(2S)-2-hydroxy-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 107838447
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 114130254
1-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 103950251
3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide
CID 126776995
1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507984
2-hydroxy-4-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173920
2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid
CID 63073217
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684
N,N-diethyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid (CID 114131625) is (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid is Cc1cnn(CCNC(=O)NCC[C@H](O)C(=O)O)c1.
What is the InChIKey of (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is SOYXMCXTQRDCPF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8-6-14-15(7-8)5-4-13-11(19)12-3-2-9(16)10(17)18/h6-7,9,16H,2-5H2,1H3,(H,17,18)(H2,12,13,19)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid?
(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 114131625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).