(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid

C10H15N5O4 — CID 103870099

IUPAC(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
SMILESCn1cc(C(N)C(=O)N[C@@H](CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C10H15N5O4/c1-15-4-5(3-13-15)8(12)9(17)14-6(10(18)19)2-7(11)16/h3-4,6,8H,2,12H2,1H3,(H2,11,16)(H,14,17)(H,18,19)/t6-,8?/m0/s1
InChIKeyNCDCGNLARYDTCM-UUEFVBAFSA-N
MW269.26 g/mol
LogP-2.14
Rot. Bonds6

About (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid

(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 103870099) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
PubChem CID103870099
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
SMILESCn1cc(C(N)C(=O)N[C@@H](CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C10H15N5O4/c1-15-4-5(3-13-15)8(12)9(17)14-6(10(18)19)2-7(11)16/h3-4,6,8H,2,12H2,1H3,(H2,11,16)(H,14,17)(H,18,19)/t6-,8?/m0/s1
InChIKeyNCDCGNLARYDTCM-UUEFVBAFSA-N
XLogP-2.14
TPSA153.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290395
(2S)-4-amino-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719403
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106096606
4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 80689101
2-amino-N-[1-(diethylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290558
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 115290836
2-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430335
2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106328550
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid (CID 103870099) is (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid is Cn1cc(C(N)C(=O)N[C@@H](CC(N)=O)C(=O)O)cn1.
What is the InChIKey of (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is NCDCGNLARYDTCM-UUEFVBAFSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-15-4-5(3-13-15)8(12)9(17)14-6(10(18)19)2-7(11)16/h3-4,6,8H,2,12H2,1H3,(H2,11,16)(H,14,17)(H,18,19)/t6-,8?/m0/s1.
What are the key properties of (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 269.26 g/mol, XLogP of -2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 103870099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).