(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid

C11H16N2O4 — CID 89064359

IUPAC(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid
SMILESC=CC[C@H](NC=O)C(=O)N[C@H](CC=C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-5-8(12-7-14)10(15)13-9(6-4-2)11(16)17/h3-4,7-9H,1-2,5-6H2,(H,12,14)(H,13,15)(H,16,17)/t8-,9+/m0/s1
InChIKeyOHHBBATYUJPOSA-DTWKUNHWSA-N
MW240.26 g/mol
LogP-0.18
Rot. Bonds9

About (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid

(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid (PubChem CID 89064359) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid
PubChem CID89064359
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid
SMILESC=CC[C@H](NC=O)C(=O)N[C@H](CC=C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-5-8(12-7-14)10(15)13-9(6-4-2)11(16)17/h3-4,7-9H,1-2,5-6H2,(H,12,14)(H,13,15)(H,16,17)/t8-,9+/m0/s1
InChIKeyOHHBBATYUJPOSA-DTWKUNHWSA-N
XLogP-0.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2R)-2-methylhexanoyl]amino]pent-4-enoic acid
CID 87460969
2-(3-methylpentan-3-ylcarbamoylamino)pent-4-enoic acid
CID 106330764
(3S)-4-[[(1S)-1-carboxyethyl]amino]-3-formamido-4-oxobutanoic acid
CID 54486402
2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pent-4-enoic acid
CID 106917378
(2R)-2-(2-aminopent-4-enoylamino)pentanoic acid
CID 107565006
2-(2-formamidopropanoylamino)-4-methylpentanoic acid
CID 131864242
(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 71442645
(2S)-3-cyclopropyl-2-formamidopropanoic acid
CID 130520889
2-(furan-2-carbonylamino)pent-4-enoic acid
CID 115563156
2-(cyclopentylamino)pent-4-enoic acid
CID 82933340
(2S)-2-[[(2S)-2-formamido-4-sulfanylbutanoyl]amino]-6,6-dimethoxyhexanoic acid
CID 20638690
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pent-4-enoic acid
CID 107400107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid (CID 89064359) is (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid is C=CC[C@H](NC=O)C(=O)N[C@H](CC=C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid?
The InChIKey is OHHBBATYUJPOSA-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-5-8(12-7-14)10(15)13-9(6-4-2)11(16)17/h3-4,7-9H,1-2,5-6H2,(H,12,14)(H,13,15)(H,16,17)/t8-,9+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid?
(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.18, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid is sourced from PubChem (CID 89064359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).