(2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide

C8H17N3O4 — CID 173003112

IUPAC(2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H]1CO[C@@H](O)[C@H](N)[C@H]1O
InChIInChI=1S/C8H17N3O4/c1-3(9)7(13)11-4-2-15-8(14)5(10)6(4)12/h3-6,8,12,14H,2,9-10H2,1H3,(H,11,13)/t3-,4+,5-,6+,8-/m1/s1
InChIKeyXZCFXWQEALCPOV-KRLHVOROSA-N
MW219.24 g/mol
LogP-3.14
Rot. Bonds2

About (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide

(2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide (PubChem CID 173003112) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide
PubChem CID173003112
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name(2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H]1CO[C@@H](O)[C@H](N)[C@H]1O
InChIInChI=1S/C8H17N3O4/c1-3(9)7(13)11-4-2-15-8(14)5(10)6(4)12/h3-6,8,12,14H,2,9-10H2,1H3,(H,11,13)/t3-,4+,5-,6+,8-/m1/s1
InChIKeyXZCFXWQEALCPOV-KRLHVOROSA-N
XLogP-3.14
TPSA130.83 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-3.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide (CID 173003112) is (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide is C[C@@H](N)C(=O)N[C@H]1CO[C@@H](O)[C@H](N)[C@H]1O.
What is the InChIKey of (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide?
The InChIKey is XZCFXWQEALCPOV-KRLHVOROSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-3(9)7(13)11-4-2-15-8(14)5(10)6(4)12/h3-6,8,12,14H,2,9-10H2,1H3,(H,11,13)/t3-,4+,5-,6+,8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide?
(2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide has a molecular weight of 219.24 g/mol, XLogP of -3.14, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3S,4R,5R,6R)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide is sourced from PubChem (CID 173003112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).