2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid

C11H18N4O3 — CID 113279611

IUPAC2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCCC(N)C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O3/c1-3-4-8(12)10(16)14-9(11(17)18)7-5-13-15(2)6-7/h5-6,8-9H,3-4,12H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyPYOSKPAKWZNMPN-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.21
Rot. Bonds6

About 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid

2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 113279611) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID113279611
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCCC(N)C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O3/c1-3-4-8(12)10(16)14-9(11(17)18)7-5-13-15(2)6-7/h5-6,8-9H,3-4,12H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyPYOSKPAKWZNMPN-UHFFFAOYSA-N
XLogP-0.21
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288800
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288733
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 103930364
2-[(5-amino-2-methylpentanoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 112547719
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
2-[(2-butylsulfanylacetyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288096
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid (CID 113279611) is 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid is CCCC(N)C(=O)NC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is PYOSKPAKWZNMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-4-8(12)10(16)14-9(11(17)18)7-5-13-15(2)6-7/h5-6,8-9H,3-4,12H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 254.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 113279611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).