(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid

C10H16N4O3 — CID 10220386

IUPAC(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H16N4O3/c11-8(1-2-9(15)16)10(17)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyFLEVPMVPMJVEDN-QMMMGPOBSA-N
MW240.26 g/mol
LogP-0.74
Rot. Bonds7

About (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid

(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 10220386) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
PubChem CID10220386
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H16N4O3/c11-8(1-2-9(15)16)10(17)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyFLEVPMVPMJVEDN-QMMMGPOBSA-N
XLogP-0.74
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide
CID 65232146
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid;N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-N-methylbutanamide
CID 70269365
4-amino-5-[[(E)-4-(1H-imidazol-5-yl)but-1-enyl]amino]-5-oxopentanoic acid
CID 123468131
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid
CID 18976964
4-amino-5-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 104894462
(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 145455385
4-amino-5-[[1-[[1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18262470
5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 82849089
4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
4-amino-5-[[1-[[4-carboxy-1-(1-carboxyethylamino)-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18265728

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid (CID 10220386) is (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid is N[C@@H](CCC(=O)O)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is FLEVPMVPMJVEDN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-8(1-2-9(15)16)10(17)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 10220386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).