(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde

C7H11N3O3 — CID 67449717

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
SMILESC=O.N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2.CH2O/c7-5(6(10)11)1-4-2-8-3-9-4;1-2/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H2/t5-;/m0./s1
InChIKeyVOILVGROJCYZPW-JEDNCBNOSA-N
MW185.18 g/mol
LogP-0.82
Rot. Bonds3

About (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde (PubChem CID 67449717) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
PubChem CID67449717
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
SMILESC=O.N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2.CH2O/c7-5(6(10)11)1-4-2-8-3-9-4;1-2/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H2/t5-;/m0./s1
InChIKeyVOILVGROJCYZPW-JEDNCBNOSA-N
XLogP-0.82
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102176482
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(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
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CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
CID 67532812
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydron;chloride;hydrate
CID 74764184
2-amino-3-(1H-imidazol-5-yl)propanoic acid;prop-2-enoic acid
CID 175540371
2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 174499457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde (CID 67449717) is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde is C=O.N[C@@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde?
The InChIKey is VOILVGROJCYZPW-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9N3O2.CH2O/c7-5(6(10)11)1-4-2-8-3-9-4;1-2/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H2/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde?
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde has a molecular weight of 185.18 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde is sourced from PubChem (CID 67449717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).